1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
TL;DR: 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea (CAS 426239-88-5) is a chemical compound with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-3-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea, 1-(4-methoxyphenyl)-3-(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2-yl)urea, 1-(4-methoxyphenyl)-3-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea, 1-(4-methoxyphenyl)-3-[(2Z)-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C21H24N4O3S |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 5.20152 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.15692 |
| Heavy Atoms | 29 |
| Complexity | 970.3125 |
Chemical Identifiers
| CAS Number | 426239-88-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)OC |
Product Overview
1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea (CAS 426239-88-5), with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol. IUPAC: 1-(4-methoxyphenyl)-3-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
Property Insights of 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
The XLogP value of 5.20152 indicates that 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea. Following Lipinski's Rule of Five, 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea?
The CAS number of 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea is 426239-88-5.
What is the molecular formula of 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea?
The molecular formula of 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea is C21H24N4O3S.
What is the molecular weight of 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea?
The molecular weight of 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea is 412.16 g/mol.
Where can I buy 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea?
You can request a quote for 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-((2-isopropyl-5-methylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.